A global leader in ADMET, PBPK, and biosimulation modeling, Simulations Plus is known for its scientifically validated predictive platforms. SigmaticOS integrates Simulations Plus technologies to provide metabolism, physicochemical, transporter, toxicity, and risk predictions, giving researchers early insight into compound safety and pharmacokinetics during discovery.
Working Together with Industry Leaders
SigmaticOS works with trusted organizations across the life sciences and technology ecosystem to deliver seamless, high-performance research and development workflows. Through these collaborations, we integrate best-in-class software, data, AI, and cloud infrastructure directly into our pipelining platform.
Our Partners
Amazon Web Services
The global leader in cloud infrastructure, AWS provides the scalable foundation that powers SigmaticOS across compute, storage, and AI services. Our partnership leverages AWS’s GPU-accelerated environments and Bedrock platform to deliver reliable, high-performance pipelines for molecular modeling, data analysis, and generative AI.
NVIDIA
The leader in GPU-accelerated AI infrastructure, NVIDIA’s NIM microservices deliver optimized inference for large models across diverse environments. SigmaticOS embeds these NIMs to power high-throughput modeling and molecular generation, offering tools for structure prediction, sequence generation, molecular design, and docking through AlphaFold2, ESM2, Evo2, GenMol, ProteinMPNN, RFdiffusion, MolMIM, and DiffDock.
Commercial Agents Supported by SigmaticOS
Schrodinger
Renowned for advancing physics-based simulation in drug discovery and materials design, Schrödinger’s software is a trusted standard in both industry and academia. Within SigmaticOS, we deploy Schrödinger’s modeling suite—Glide Docking, GridGen, LigPrep, Protein Prep, and Sitemap—to manage structure preparation, docking, and analysis with precision and scientific rigor.
CAS
With decades of leadership in chemical information and patent data, CAS provides scientists with a trusted foundation for discovery. SigmaticOS uses CAS’s Document, Markush, and Substance search services to deliver comprehensive access to literature, chemical structures, and patent information within a single, connected environment.
DISGENET
DISGENET is recognized for its curated knowledge linking genes, variants, and diseases to biomedical context. Through SigmaticOS, researchers can use DISGENET tools for enrichment analysis and exploration across genes, variants, chemicals, diseases, and publications, uncovering meaningful biological associations within their data.
Elsevier
Elsevier’s Reaxys provides authoritative chemical and reaction data, while SciBite’s CENTree and TERMite deliver advanced semantic text-mining capabilities. In SigmaticOS, these technologies work together to extract, normalize, and link scientific concepts across datasets, enriching chemical and textual data for more connected research insights.
Simulations Plus
